3-fluoro-7-(4-fluoroanilino)-8-(4-fluorophenyl)-5-oxo-1,8-naphthyridine-2-carboxamide

C21H13F3N4O2 — CID 20791006

IUPAC3-fluoro-7-(4-fluoroanilino)-8-(4-fluorophenyl)-5-oxo-1,8-naphthyridine-2-carboxamide
SMILESNC(=O)c1nc2c(cc1F)c(=O)cc(Nc1ccc(F)cc1)n2-c1ccc(F)cc1
InChIInChI=1S/C21H13F3N4O2/c22-11-1-5-13(6-2-11)26-18-10-17(29)15-9-16(24)19(20(25)30)27-21(15)28(18)14-7-3-12(23)4-8-14/h1-10,26H,(H2,25,30)
InChIKeyQKYJJJXIVAJRRT-UHFFFAOYSA-N
MW410.36 g/mol
LogP3.65
Rot. Bonds4

About 3-fluoro-7-(4-fluoroanilino)-8-(4-fluorophenyl)-5-oxo-1,8-naphthyridine-2-carboxamide

3-fluoro-7-(4-fluoroanilino)-8-(4-fluorophenyl)-5-oxo-1,8-naphthyridine-2-carboxamide (PubChem CID 20791006) has the molecular formula C21H13F3N4O2 and a molecular weight of 410.36 g/mol. Its IUPAC name is 3-fluoro-7-(4-fluoroanilino)-8-(4-fluorophenyl)-5-oxo-1,8-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-7-(4-fluoroanilino)-8-(4-fluorophenyl)-5-oxo-1,8-naphthyridine-2-carboxamide
PubChem CID20791006
Molecular FormulaC21H13F3N4O2
Molecular Weight410.36 g/mol
Exact Mass410.10
IUPAC Name3-fluoro-7-(4-fluoroanilino)-8-(4-fluorophenyl)-5-oxo-1,8-naphthyridine-2-carboxamide
SMILESNC(=O)c1nc2c(cc1F)c(=O)cc(Nc1ccc(F)cc1)n2-c1ccc(F)cc1
InChIInChI=1S/C21H13F3N4O2/c22-11-1-5-13(6-2-11)26-18-10-17(29)15-9-16(24)19(20(25)30)27-21(15)28(18)14-7-3-12(23)4-8-14/h1-10,26H,(H2,25,30)
InChIKeyQKYJJJXIVAJRRT-UHFFFAOYSA-N
XLogP3.65
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Vx-702
CID 10341154
3-Acyl-2,6-diaminopyridine deriv. 2c
CID 5330817
3-Acyl-2,6-diaminopyridine deriv. 2l
CID 5330826
3-Acyl-2,6-diaminopyridine deriv. 2m
CID 5330827
3-Acyl-2,6-diaminopyridine deriv. 2b
CID 5330816
3-Acyl-2,6-diaminopyridine deriv. 2n
CID 5330828
N-[4-(4-Hydroxy-7-methyl-[1,8]naphthyridin-2-yl)-phenyl]-acetamide
CID 10085767
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 16086899
2-Phenyl-7-methyl-1,8-naphthyridine-4-ol
CID 5467768
7-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one
CID 5468782
2-(3-fluorophenyl)-7-methyl-1,8-naphthyridin-4(1H)-one
CID 5468784
2-(3-Fluoro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one
CID 5468785

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-(4-fluoroanilino)-8-(4-fluorophenyl)-5-oxo-1,8-naphthyridine-2-carboxamide?
The IUPAC name of 3-fluoro-7-(4-fluoroanilino)-8-(4-fluorophenyl)-5-oxo-1,8-naphthyridine-2-carboxamide (CID 20791006) is 3-fluoro-7-(4-fluoroanilino)-8-(4-fluorophenyl)-5-oxo-1,8-naphthyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-7-(4-fluoroanilino)-8-(4-fluorophenyl)-5-oxo-1,8-naphthyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-7-(4-fluoroanilino)-8-(4-fluorophenyl)-5-oxo-1,8-naphthyridine-2-carboxamide is NC(=O)c1nc2c(cc1F)c(=O)cc(Nc1ccc(F)cc1)n2-c1ccc(F)cc1.
What is the InChIKey of 3-fluoro-7-(4-fluoroanilino)-8-(4-fluorophenyl)-5-oxo-1,8-naphthyridine-2-carboxamide?
The InChIKey is QKYJJJXIVAJRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N4O2/c22-11-1-5-13(6-2-11)26-18-10-17(29)15-9-16(24)19(20(25)30)27-21(15)28(18)14-7-3-12(23)4-8-14/h1-10,26H,(H2,25,30).
What are the key properties of 3-fluoro-7-(4-fluoroanilino)-8-(4-fluorophenyl)-5-oxo-1,8-naphthyridine-2-carboxamide?
3-fluoro-7-(4-fluoroanilino)-8-(4-fluorophenyl)-5-oxo-1,8-naphthyridine-2-carboxamide has a molecular weight of 410.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7-(4-fluoroanilino)-8-(4-fluorophenyl)-5-oxo-1,8-naphthyridine-2-carboxamide is sourced from PubChem (CID 20791006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).